(4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone

C16H10Br2N2O — CID 10971509

IUPAC(4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H10Br2N2O/c17-12-5-1-10(2-6-12)14-9-19-16(20-14)15(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)
InChIKeyULCKEQUOKSHXJR-UHFFFAOYSA-N
MW406.08 g/mol
LogP4.83
Rot. Bonds3

About (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone

(4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone (PubChem CID 10971509) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone
PubChem CID10971509
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name(4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H10Br2N2O/c17-12-5-1-10(2-6-12)14-9-19-16(20-14)15(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)
InChIKeyULCKEQUOKSHXJR-UHFFFAOYSA-N
XLogP4.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone (CID 10971509) is (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone is O=C(c1ccc(Br)cc1)c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone?
The InChIKey is ULCKEQUOKSHXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-12-5-1-10(2-6-12)14-9-19-16(20-14)15(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20).
What are the key properties of (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone?
(4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone has a molecular weight of 406.08 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[5-(4-bromophenyl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 10971509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).